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renames histogramset to dataset

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This commit is contained in:
Daniel Bauer
2018-10-06 12:34:53 +02:00
parent 206ff97e91
commit 9bbd5b5d7a
3 changed files with 95 additions and 96 deletions
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32
src/io.rs
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@@ -1,4 +1,4 @@
use super::histogram::HistogramSet;
use super::histogram::Dataset;
use super::histogram::Histogram;
use super::Config;
use std::fs::File;
@@ -26,7 +26,7 @@ pub fn vprintln(s: String, verbose: bool) {
// Read input data into a histogram set by iterating over input files
// given in the metadata file
pub fn read_data(cfg: &Config) -> Option<HistogramSet> {
pub fn read_data(cfg: &Config) -> Option<Dataset> {
let mut bias_x0: Vec<f32> = Vec::new();
let mut bias_fc: Vec<f32> = Vec::new();
let mut histograms: Vec<Histogram> = Vec::new();
@@ -71,7 +71,7 @@ pub fn read_data(cfg: &Config) -> Option<HistogramSet> {
if histograms.len() > 0 {
let bin_width = (cfg.hist_max - cfg.hist_min)/(cfg.num_bins as f32);
Some(HistogramSet::new(cfg.num_bins, bin_width, cfg.hist_min, cfg.hist_max, bias_x0, bias_fc, kT, histograms, cfg.cyclic))
Some(Dataset::new(cfg.num_bins, bin_width, cfg.hist_min, cfg.hist_max, bias_x0, bias_fc, kT, histograms, cfg.cyclic))
} else {
None
}
@@ -170,20 +170,20 @@ mod tests {
#[test]
fn read_data() {
let cfg = cfg();
let hs = super::read_data(&cfg);
assert!(hs.is_some());
let hs = hs.unwrap();
println!("{:?}", hs);
assert_eq!(2, hs.num_windows);
assert_eq!(cfg.num_bins, hs.num_bins);
assert_eq!(cfg.hist_min, hs.hist_min);
assert_eq!(cfg.hist_max, hs.hist_max);
let ds = super::read_data(&cfg);
assert!(ds.is_some());
let ds = ds.unwrap();
println!("{:?}", ds);
assert_eq!(2, ds.num_windows);
assert_eq!(cfg.num_bins, ds.num_bins);
assert_eq!(cfg.hist_min, ds.hist_min);
assert_eq!(cfg.hist_max, ds.hist_max);
let expected_bin_width = (cfg.hist_max - cfg.hist_min)/cfg.num_bins as f32;
assert_eq!(expected_bin_width, hs.bin_width);
assert_eq!(vec![0.0, 1.0], hs.bias_x0);
assert_eq!(vec![100.0, 200.0], hs.bias_fc);
assert_eq!(cfg.temperature * k_B, hs.kT);
assert_eq!(2, hs.histograms.len())
assert_eq!(expected_bin_width, ds.bin_width);
assert_eq!(vec![0.0, 1.0], ds.bias_x0);
assert_eq!(vec![100.0, 200.0], ds.bias_fc);
assert_eq!(cfg.temperature * k_B, ds.kT);
assert_eq!(2, ds.histograms.len())
}
#[test]